[Pw_forum] (no subject)

[Franklin Zhan]

Hi,
I suggest you read the example 3 which is about structural optimization. I think it helps.
Then you might write codes by yourself.


Best regards,




Franklin  





> Date: Fri, 24 Aug 2012 15:51:50 +0200
> From: akohlmey at gmail.com
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] (no subject)
> 
> On Fri, Aug 24, 2012 at 3:42 PM, ramzi alaya <ramzialaya at hotmail.fr> wrote:
> > Dear all:
> >
> > I will study the structural properties of zinc blende ternary alloys. The
> > calculation will be performed on a supercell 16 atoms (1 * 1 * 2). My
> > question is as follows:
> > How do I define my input parameters (ibrav, celldm).
> 
> preferably with a text editor.
> 
> read the documentation, study the existing examples
> and tutorials and just write it.
> 
> easy as pie.
> 
> good luck,
>       axel.
> 
> 
> >
> > Thank you.
> > Regards.
> >
> >
> >
> >
> > ****************************************************************************************************************************************************************************
> > Ramzi Alaya
> >
> > E-mail : ramzialaya at hotmail.fr
> > Faculté des Sciences de Gabès, Cité Erriadh 6072 Gabès- Tunisie
> > Unité de Recherche sur les Hétéro-Epitaxies et Applications
> >
> >
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
> 
> 
> 
> -- 
> Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
> _______________________________________________
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